2-butyl-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-1,3-bis(oxidanylidene)isoindole-5-carboxamide

Systemtic Name: 2-butyl-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: 2-butyl-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-1,3-dioxo-isoindoline-5-carboxamide CAS Name: 2-butyl-N-[2-[(3-chlorophenyl)methyl]-3-pyrazolyl]-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: 2-butyl-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-1,3-dioxoisoindole-5-carboxamide Traditional Name: 2-butyl-N-[2-(3-chlorobenzyl)pyrazol-3-yl]-1,3-diketo-isoindoline-5-carboxamide Formula: C23H21ClN4O3 MolecularWeight: 436.89084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=NN3CC4=CC(=CC=C4)Cl

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=NN3CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C23H21ClN4O3/c1-2-3-11-27-22(30)18-8-7-16(13-19(18)23(27)31)21(29)26-20-9-10-25-28(20)14-15-5-4-6-17(24)12-15/h4-10,12-13H,2-3,11,14H2,1H3,(H,26,29)